SCHEMBL29950552

SCHEMBL29950552

COc1ccc(C=O)cc1OCC(=O)NC(C)(C)C

nearest known ligand 0.90

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.90
ALDH1A1 P00352 8/20 0.79
SMN1; SMN2 Q16637 2/20 0.66
TSHR P16473 1/20 0.54
FDPS P14324 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29952092 0.95 POLB (1.00) POLBALDH1A1SMN1; SMN2TSHRFDPS
SCHEMBL29951504 0.88 ALDH1A1 (1.00) POLBALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL15332128 0.85 ALDH1A1 (0.89) POLBALDH1A1SMN1; SMN2TSHRFDPS
SCHEMBL29951968 0.84 POLB (0.73) POLBALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL2559017 0.84 ALDH1A1 (0.69) POLBALDH1A1SMN1; SMN2TSHRFDPS
SCHEMBL29958425 0.83 ALDH1A1 (0.90) POLBALDH1A1SMN1; SMN2TSHRFDPS
SCHEMBL7677018 0.82 ALDH1A1 (0.66) POLBALDH1A1SMN1; SMN2TSHRFDPS
SCHEMBL2556412 0.82 ALDH1A1 (0.66) POLBALDH1A1SMN1; SMN2TSHRFDPS
SCHEMBL2557621 0.81 ALDH1A1 (0.66) POLBALDH1A1SMN1; SMN2TSHRFDPS
SCHEMBL15332004 0.81 ALDH1A1 (0.73) POLBALDH1A1SMN1; SMN2TSHRFDPS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed